Package org.rcsb.cif.model.generated

Class Symmetry

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.Symmetry

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class Symmetry
extends BaseCategory

Data items in the SYMMETRY category record details about the space-group symmetry.

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

isText, textFields

Constructor Summary

Constructors

Constructor	Description
Symmetry(String name)
Symmetry(String name, int rowCount, Object[] encodedColumns)
Symmetry(String name, Map<String,Column> columns)

Method Summary

Modifier and Type	Method	Description
StrColumn	getCellSetting()	The cell settings for this space-group symmetry.
StrColumn	getEntryId()	This data item is a pointer to _entry.id in the ENTRY category.
IntColumn	getIntTablesNumber()	Space-group number from International Tables for Crystallography Vol.
StrColumn	getPdbxFullSpaceGroupNameH_M()	Used for PDB space group: Example: 'C 1 2 1' (instead of C 2) 'P 1 2 1' (instead of P 2) 'P 1 21 1' (instead of P 21) 'P 1 1 21' (instead of P 21 -unique C axis) 'H 3' (instead of R 3 -hexagonal) 'H 3 2' (instead of R 3 2 -hexagonal)
StrColumn	getSpaceGroupNameH_M()	Hermann-Mauguin space-group symbol.
StrColumn	getSpaceGroupNameHall()	Space-group symbol as described by Hall (1981).

Methods inherited from class org.rcsb.cif.model.BaseCategory

getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category

columnNames, columns, get

Constructor Detail

Symmetry

public Symmetry(String name,
                Map<String,Column> columns)

Symmetry

public Symmetry(String name,
                int rowCount,
                Object[] encodedColumns)

Symmetry

public Symmetry(String name)

Method Detail

getEntryId

public StrColumn getEntryId()

This data item is a pointer to _entry.id in the ENTRY category.

Returns:

StrColumn

getCellSetting

public StrColumn getCellSetting()

The cell settings for this space-group symmetry.

Returns:

StrColumn

getIntTablesNumber

public IntColumn getIntTablesNumber()

Space-group number from International Tables for Crystallography Vol. A (2002).

Returns:

IntColumn

getSpaceGroupNameHall

public StrColumn getSpaceGroupNameHall()

Space-group symbol as described by Hall (1981). This symbol gives the space-group setting explicitly. Leave spaces between the separate components of the symbol. Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525; erratum (1981) A37, 921.

Returns:

StrColumn

getSpaceGroupNameH_M

public StrColumn getSpaceGroupNameH_M()

Hermann-Mauguin space-group symbol. Note that the Hermann-Mauguin symbol does not necessarily contain complete information about the symmetry and the space-group origin. If used, always supply the FULL symbol from International Tables for Crystallography Vol. A (2002) and indicate the origin and the setting if it is not implicit. If there is any doubt that the equivalent positions can be uniquely deduced from this symbol, specify the _symmetry_equiv.pos_as_xyz or _symmetry.space_group_name_Hall data items as well. Leave spaces between symbols referring to different axes.

Returns:

StrColumn

getPdbxFullSpaceGroupNameH_M

public StrColumn getPdbxFullSpaceGroupNameH_M()

Used for PDB space group: Example: 'C 1 2 1' (instead of C 2) 'P 1 2 1' (instead of P 2) 'P 1 21 1' (instead of P 21) 'P 1 1 21' (instead of P 21 -unique C axis) 'H 3' (instead of R 3 -hexagonal) 'H 3 2' (instead of R 3 2 -hexagonal)

Returns:

StrColumn